UCSF

ZINC34611316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.48 13.42 -18.36 1 6 0 79 519.022 8
Hi High (pH 8-9.5) 5.48 14.2 -56.82 0 6 -1 82 518.014 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )